BDBM50070863 (2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL49843
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
InChI Key: InChIKey=XZQKRHODUKHITR-MOROJQBDSA-N
Data: 8 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-... | J Med Chem 37: 636-46 (1994) BindingDB Entry DOI: 10.7270/Q2057GJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans... | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Binding affinity for adenosine A3 receptor as inhibition of [125I]-AB-MECA binding to human receptor expressed in HEK 293 cells | Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 597 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 898 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 898 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined | J Med Chem 37: 636-46 (1994) BindingDB Entry DOI: 10.7270/Q2057GJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Binding affinity for adenosine A2a receptor as inhibition of 3[H]-CGS 21680 binding in rat striatum | Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50070863 ((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Binding affinity for adenosine A1 receptor as inhibition of 3[H]-R-PIA binding in rat brain | Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R | |||||||||||
More data for this Ligand-Target Pair |